Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30792317 | 0.82 | CYP3A4 (0.58) | ABCG2BACE1CYP3A4USP2MAPK1 | |
| SCHEMBL656327 | 0.82 | CYP3A4 (0.58) | ABCG2BACE1CYP3A4USP2MAPK1 | |
| SCHEMBL29928265 | 0.80 | CYP3A4 (0.49) | ABCG2BACE1CYP3A4USP2MAPK1 | |
| SCHEMBL28321480 | 0.79 | CYP3A4 (0.50) | NFKB1NFKB2RELABACE1CYP3A4 | |
| SCHEMBL9578204 | 0.79 | ABCG2 (0.64) | ABCG2NFKB1DPP4NFKB2RELA | |
| SCHEMBL9578210 | 0.79 | ABCG2 (0.64) | ABCG2NFKB1DPP4NFKB2RELA | |
| SCHEMBL30382156 | 0.78 | MAPT (0.68) | ABCG2NFKB1DPP4NFKB2RELA | |
| SCHEMBL4447777 | 0.78 | MAPT (0.68) | ABCG2NFKB1DPP4NFKB2RELA | |
| SCHEMBL4447783 | 0.78 | MAPT (0.68) | ABCG2NFKB1DPP4NFKB2RELA | |
| SCHEMBL4157038 | 0.78 | SLC5A1 (0.69) | ABCG2NFKB1DPP4NFKB2RELA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117534661-A | Methyl ophiopogon flavone A derivative and preparation and application thereof | 中国医学科学院药物研究所 | 2024-02-09 | — | — | CN | disclosed |